>compound 2'-Deoxyinosine-5'-monophosphate_2'-Deoxyinosine-5'-monophosphate
#instrument UPLC Q-Tof Premier, Waters
>formula C10H13N4O7P
#smiles OC(C1)C(COP(O)(O)=O)OC1n(c3)c(N2)c(n3)C(=O)N=C2
#RECORD LC-ESI-QTOF_train_data/PR100090.txt;LC-ESI-QTOF_train_data/PR100089.txt;LC-ESI-QTOF_train_data/PR100524.txt
>charge 1
>ionization [M+H]+
>parentmass 333.05998

>collision 30
81.0379 16.37
137.0496 69.48
217.081 6.991
333.06 18.16

>collision 5-60
81.0343 6.175
137.0466 54.18
217.072 9.397
332.8524 4.616
333.06 70.1

>collision 5-60
78.9597 1426.0
92.0257 420.5
96.9697 458.7
135.0308 1354.0
176.9956 234.1
195.0058 680.2
331.0444 962.5

